3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol

C14H25N5O — CID 137381354

IUPAC3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC(CCO)Nc1nc(N)nc2c1CCN(C)C2
InChIInChI=1S/C14H25N5O/c1-3-4-10(6-8-20)16-13-11-5-7-19(2)9-12(11)17-14(15)18-13/h10,20H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyOICKOYONNGXMQP-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.01
Rot. Bonds6

About 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol

3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 137381354) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID137381354
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCCCC(CCO)Nc1nc(N)nc2c1CCN(C)C2
InChIInChI=1S/C14H25N5O/c1-3-4-10(6-8-20)16-13-11-5-7-19(2)9-12(11)17-14(15)18-13/h10,20H,3-9H2,1-2H3,(H3,15,16,17,18)
InChIKeyOICKOYONNGXMQP-UHFFFAOYSA-N
XLogP1.01
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 137381354) is 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol is CCCC(CCO)Nc1nc(N)nc2c1CCN(C)C2.
What is the InChIKey of 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is OICKOYONNGXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-3-4-10(6-8-20)16-13-11-5-7-19(2)9-12(11)17-14(15)18-13/h10,20H,3-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 279.39 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 137381354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).