5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine

C10H16ClN3 — CID 105369165

IUPAC5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1ncncc1Cl
InChIInChI=1S/C10H16ClN3/c1-7(2)4-8(3)14-10-9(11)5-12-6-13-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyZWBKFJOUIHSJBP-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.98
Rot. Bonds4

About 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine

5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine (PubChem CID 105369165) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
PubChem CID105369165
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine
SMILESCC(C)CC(C)Nc1ncncc1Cl
InChIInChI=1S/C10H16ClN3/c1-7(2)4-8(3)14-10-9(11)5-12-6-13-10/h5-8H,4H2,1-3H3,(H,12,13,14)
InChIKeyZWBKFJOUIHSJBP-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369462
5-chloro-N-(2-chloro-4-methylpentyl)pyrimidin-4-amine
CID 107156317
5-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-4-amine
CID 102975953
1-N-(5-chloropyrimidin-4-yl)propane-1,2-diamine
CID 105369964
5-chloro-N-(1-methoxybutan-2-yl)pyrimidin-4-amine
CID 105369448
ethyl (2S,3R)-3-[(5-chloropyrimidin-4-yl)amino]-2-methylbutanoate
CID 100662469
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
3-bromo-5-chloro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 114835656
6-chloro-N-(4-methylpentan-2-yl)-5-nitropyrimidin-4-amine
CID 62100858
5-methyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80782943
N-(5-chloropyrimidin-4-yl)-1-cyclopropylethane-1,2-diamine
CID 105370003

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine (CID 105369165) is 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine is CC(C)CC(C)Nc1ncncc1Cl.
What is the InChIKey of 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
The InChIKey is ZWBKFJOUIHSJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-7(2)4-8(3)14-10-9(11)5-12-6-13-10/h5-8H,4H2,1-3H3,(H,12,13,14).
What are the key properties of 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine?
5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine has a molecular weight of 213.71 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylpentan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 105369165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).