N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine

C24H29N5O2 — CID 127249181

IUPACN-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)ccc1CN1CCOC(c2ccc(Nc3nc(C)cc(C)n3)cn2)C1
InChIInChI=1S/C24H29N5O2/c1-16-5-6-19(22(11-16)30-4)14-29-9-10-31-23(15-29)21-8-7-20(13-25-21)28-24-26-17(2)12-18(3)27-24/h5-8,11-13,23H,9-10,14-15H2,1-4H3,(H,26,27,28)
InChIKeyNZEVGPNELPZICS-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.12
Rot. Bonds6

About N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine

N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (PubChem CID 127249181) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
PubChem CID127249181
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine
SMILESCOc1cc(C)ccc1CN1CCOC(c2ccc(Nc3nc(C)cc(C)n3)cn2)C1
InChIInChI=1S/C24H29N5O2/c1-16-5-6-19(22(11-16)30-4)14-29-9-10-31-23(15-29)21-8-7-20(13-25-21)28-24-26-17(2)12-18(3)27-24/h5-8,11-13,23H,9-10,14-15H2,1-4H3,(H,26,27,28)
InChIKeyNZEVGPNELPZICS-UHFFFAOYSA-N
XLogP4.12
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
2-Amino-4-(morpholin-4-yl)-6-(3,4-dimethoxyphenyl)pteridine
CID 11176099
[3-(2-Imidazol-1-yl-ethoxy)-phenyl]-(4-pyridin-3-yl-pyrimidin-2-yl)-amine
CID 11371778
N-(3-methoxyphenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 14347071
N-(3-methoxyphenyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 14347076
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347174
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[3-(Dimethylamino)propoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347180

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine (CID 127249181) is N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is COc1cc(C)ccc1CN1CCOC(c2ccc(Nc3nc(C)cc(C)n3)cn2)C1.
What is the InChIKey of N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
The InChIKey is NZEVGPNELPZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-5-6-19(22(11-16)30-4)14-29-9-10-31-23(15-29)21-8-7-20(13-25-21)28-24-26-17(2)12-18(3)27-24/h5-8,11-13,23H,9-10,14-15H2,1-4H3,(H,26,27,28).
What are the key properties of N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine?
N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine has a molecular weight of 419.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2-methoxy-4-methylphenyl)methyl]morpholin-2-yl]-3-pyridinyl]-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 127249181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).