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

C10H17ClN4O — CID 80844103

IUPAC5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)CCOC)n1
InChIInChI=1S/C10H17ClN4O/c1-7(4-5-16-3)14-9-8(11)6-13-10(12-2)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJKHFAUUMPFNUTC-UHFFFAOYSA-N
MW244.73 g/mol
LogP2.01
Rot. Bonds6

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

5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine (PubChem CID 80844103) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
PubChem CID80844103
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NC(C)CCOC)n1
InChIInChI=1S/C10H17ClN4O/c1-7(4-5-16-3)14-9-8(11)6-13-10(12-2)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyJKHFAUUMPFNUTC-UHFFFAOYSA-N
XLogP2.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180608
2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80778757
5-chloro-2-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-2,4-diamine
CID 80811720
5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
5-chloro-2-N-methyl-4-N-(1-phenylpropan-2-yl)pyrimidine-2,4-diamine
CID 80831177
4-N-(4-methoxybutan-2-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328333
4-N-(1-methoxypropan-2-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80785415
4-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]-1-methoxybutan-2-ol
CID 106248775
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
5-chloro-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80800808
5-fluoro-2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 80915239
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine (CID 80844103) is 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine is CNc1ncc(Cl)c(NC(C)CCOC)n1.
What is the InChIKey of 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
The InChIKey is JKHFAUUMPFNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(4-5-16-3)14-9-8(11)6-13-10(12-2)15-9/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine?
5-chloro-4-N-(4-methoxybutan-2-yl)-2-N-methylpyrimidine-2,4-diamine has a molecular weight of 244.73 g/mol, XLogP of 2.01, 6 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)-2-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 80844103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).