7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol

C14H22ClN5O — CID 142534454

IUPAC7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
SMILESCCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1
InChIInChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3
InChIKeyUTIWCQWOBOHCSR-UHFFFAOYSA-N
MW311.82 g/mol
LogP2.65
Rot. Bonds4

About 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol

7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol (PubChem CID 142534454) has the molecular formula C14H22ClN5O and a molecular weight of 311.82 g/mol. Its IUPAC name is 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol.

Molecular Properties

Compound Name7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
PubChem CID142534454
Molecular FormulaC14H22ClN5O
Molecular Weight311.82 g/mol
Exact Mass311.15
IUPAC Name7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol
SMILESCCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1
InChIInChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3
InChIKeyUTIWCQWOBOHCSR-UHFFFAOYSA-N
XLogP2.65
TPSA110.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The IUPAC name of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol (CID 142534454) is 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol.
What is the SMILES notation for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The canonical SMILES for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol is CCCCC(C)CO.Nc1nc(N)c2ncc(Cl)cc2n1.
What is the InChIKey of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
The InChIKey is UTIWCQWOBOHCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5.C7H16O/c8-3-1-4-5(11-2-3)6(9)13-7(10)12-4;1-3-4-5-7(2)6-8/h1-2H,(H4,9,10,12,13);7-8H,3-6H2,1-2H3.
What are the key properties of 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol?
7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol has a molecular weight of 311.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloropyrido[3,2-d]pyrimidine-2,4-diamine;2-methylhexan-1-ol is sourced from PubChem (CID 142534454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).