5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine

C9H15ClN4O — CID 106811981

IUPAC5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
SMILESCOCCC(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-6(3-4-15-2)14-9-7(10)8(11)12-5-13-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyOCSMEJZEGDNXAM-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.55
Rot. Bonds5

About 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine

5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine (PubChem CID 106811981) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
PubChem CID106811981
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine
SMILESCOCCC(C)Nc1ncnc(N)c1Cl
InChIInChI=1S/C9H15ClN4O/c1-6(3-4-15-2)14-9-7(10)8(11)12-5-13-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14)
InChIKeyOCSMEJZEGDNXAM-UHFFFAOYSA-N
XLogP1.55
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine (CID 106811981) is 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine is COCCC(C)Nc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is OCSMEJZEGDNXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-6(3-4-15-2)14-9-7(10)8(11)12-5-13-9/h5-6H,3-4H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine?
5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 230.70 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(4-methoxybutan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106811981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).