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

C14H21N5O — CID 122585141

IUPAC(2S)-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-/m0/s1
InChIKeyDGQXILANHZTODU-AWEZNQCLSA-N
MW275.36 g/mol
LogP1.96
Rot. Bonds6

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

(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (PubChem CID 122585141) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol
PubChem CID122585141
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-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-/m0/s1
InChIKeyDGQXILANHZTODU-AWEZNQCLSA-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The IUPAC name of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol (CID 122585141) is (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol.
What is the SMILES notation for (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The canonical SMILES for (2S)-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 (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
The InChIKey is DGQXILANHZTODU-AWEZNQCLSA-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-/m0/s1.
What are the key properties of (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol?
(2S)-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 (2S)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-2-methylhexan-1-ol is sourced from PubChem (CID 122585141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).