(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol

C14H21N5O — CID 122585365

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C14H21N5O/c1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12/h5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19)/t14-/m1/s1
InChIKeyDGQXILANHZTODU-CQSZACIVSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds6

About (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (PubChem CID 122585365) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PubChem CID122585365
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
SMILESCCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C14H21N5O/c1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12/h5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19)/t14-/m1/s1
InChIKeyDGQXILANHZTODU-CQSZACIVSA-N
XLogP1.96
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol with MolForge

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Related Compounds

Selgantolimod
CID 122585383
4-[(3-Bromophenyl)amino]-6-[(2-hydroxyethyl)amino]-pyrido[3,4-d]pyrimidine
CID 5328350
4-[(3-Bromophenyl)amino]-6-[N-(2-hydroxyethyl)-N-methylamino]pyrido[3,4-d]pyrimidine
CID 5328351
6-N-methyl-4-N-phenylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328264
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6b
CID 5328345
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6d
CID 5328347
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol
CID 12111411
3-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 72793042
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (CID 122585365) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is CCCC[C@](C)(CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The InChIKey is DGQXILANHZTODU-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-4-7-14(2,9-20)19-12-11-10(6-5-8-16-11)17-13(15)18-12/h5-6,8,20H,3-4,7,9H2,1-2H3,(H3,15,17,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol has a molecular weight of 275.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 122585365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).