2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide

C24H29N7O4 — CID 59199654

IUPAC2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)n1
InChIInChI=1S/C24H29N7O4/c1-34-14-18(25)12-27-24-28-13-20(21(26)32)22(30-24)29-19-5-4-15-10-17(3-2-16(15)11-19)23(33)31-6-8-35-9-7-31/h2-5,10-11,13,18H,6-9,12,14,25H2,1H3,(H2,26,32)(H2,27,28,29,30)/t18-/m1/s1
InChIKeyQYMDRAKNEWIIHL-GOSISDBHSA-N
MW479.54 g/mol
LogP1.33
Rot. Bonds9

About 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide

2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide (PubChem CID 59199654) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide
PubChem CID59199654
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Name2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide
SMILESCOC[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)n1
InChIInChI=1S/C24H29N7O4/c1-34-14-18(25)12-27-24-28-13-20(21(26)32)22(30-24)29-19-5-4-15-10-17(3-2-16(15)11-19)23(33)31-6-8-35-9-7-31/h2-5,10-11,13,18H,6-9,12,14,25H2,1H3,(H2,26,32)(H2,27,28,29,30)/t18-/m1/s1
InChIKeyQYMDRAKNEWIIHL-GOSISDBHSA-N
XLogP1.33
TPSA157.72 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide with MolForge

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Related Compounds

6-((Z)-Amino(Imino)Methyl)-N-(4-(Aminomethyl)Phenyl)-4-(Pyrimidin-2-Ylamino)-2-Naphthamide
CID 448605
N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
CID 24963046
N-(3-Tert-Butylphenyl)-4-Methyl-3-[6-(Morpholin-4-Yl)pyrimidin-4-Yl]benzamide
CID 129010136
8-(2,3-dihydro-1H-inden-5-yl)-N-methyl-2-({4-[2-(morpholin-4-yl)ethyl]phenyl}amino)-5-oxo-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxamide
CID 16059535
Aminopyrimidine amide, 13e
CID 16118605
Aminopyrimidine amide, 13c
CID 16118609
Aminopyrimidine amide, 13d
CID 16118739
N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
CID 24856364
N-(2-Methoxyethyl)-4-[(6-Pyridin-4-Ylquinazolin-2-Yl)amino]benzamide
CID 24891645
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 21
CID 57340669
Hth-01-015
CID 78357766
1-(2-(4-Methyl-3-(2-(methylamino)quinazolin-6-yl)benzamido)-4-(trifluoromethyl)phenyl)-3-(2-morpholinoethyl)urea
CID 16086107

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide (CID 59199654) is 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide is COC[C@H](N)CNc1ncc(C(N)=O)c(Nc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)n1.
What is the InChIKey of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is QYMDRAKNEWIIHL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-34-14-18(25)12-27-24-28-13-20(21(26)32)22(30-24)29-19-5-4-15-10-17(3-2-16(15)11-19)23(33)31-6-8-35-9-7-31/h2-5,10-11,13,18H,6-9,12,14,25H2,1H3,(H2,26,32)(H2,27,28,29,30)/t18-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide?
2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 1.33, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-3-methoxypropyl]amino]-4-[[6-(morpholine-4-carbonyl)naphthalen-2-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 59199654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).