(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol

C14H19N5O — CID 122585192

IUPAC(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
SMILESC=C(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C14H19N5O/c1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h3-4,7,10,20H,1,5-6,8H2,2H3,(H3,15,17,18,19)/t10-/m1/s1
InChIKeyJTAJIAZGINMUBK-SNVBAGLBSA-N
MW273.34 g/mol
LogP1.74
Rot. Bonds6

About (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol

(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol (PubChem CID 122585192) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
PubChem CID122585192
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol
SMILESC=C(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12
InChIInChI=1S/C14H19N5O/c1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h3-4,7,10,20H,1,5-6,8H2,2H3,(H3,15,17,18,19)/t10-/m1/s1
InChIKeyJTAJIAZGINMUBK-SNVBAGLBSA-N
XLogP1.74
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol?
The IUPAC name of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol (CID 122585192) is (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol.
What is the SMILES notation for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol?
The canonical SMILES for (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol is C=C(C)CC[C@H](CO)Nc1nc(N)nc2cccnc12.
What is the InChIKey of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol?
The InChIKey is JTAJIAZGINMUBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)5-6-10(8-20)17-13-12-11(4-3-7-16-12)18-14(15)19-13/h3-4,7,10,20H,1,5-6,8H2,2H3,(H3,15,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol?
(2R)-2-[(2-aminopyrido[3,2-d]pyrimidin-4-yl)amino]-5-methylhex-5-en-1-ol has a molecular weight of 273.34 g/mol, XLogP of 1.74, 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]-5-methylhex-5-en-1-ol is sourced from PubChem (CID 122585192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).