6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

C15H17ClN4 — CID 133430991

IUPAC6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCC1CCc2ccccc2C1Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C15H17ClN4/c1-9-6-7-10-4-2-3-5-11(10)14(9)19-13-8-12(16)18-15(17)20-13/h2-5,8-9,14H,6-7H2,1H3,(H3,17,18,19,20)
InChIKeyXIOPCNHIUDRVKF-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.45
Rot. Bonds2

About 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine

6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (PubChem CID 133430991) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
PubChem CID133430991
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
SMILESCC1CCc2ccccc2C1Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C15H17ClN4/c1-9-6-7-10-4-2-3-5-11(10)14(9)19-13-8-12(16)18-15(17)20-13/h2-5,8-9,14H,6-7H2,1H3,(H3,17,18,19,20)
InChIKeyXIOPCNHIUDRVKF-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159175397
CID 159175397
N-[(1R,2R)-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]pyrido[2,3-b]pyrazin-6-amine
CID 97328892
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
cis-(1S,2R)-2-[(2-amino-6-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 52840167
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213
6-chloro-2-methylsulfanyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 80546785
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635
6-chloro-4-N-(3-methoxycyclopentyl)pyrimidine-2,4-diamine
CID 103082047
6-chloro-4-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrimidine-2,4-diamine
CID 133312969
2-[(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridine-3-carbonitrile
CID 133430985
6-chloro-4-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine
CID 80735055
(2R)-2-amino-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide;hydrochloride
CID 120873780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine (CID 133430991) is 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is CC1CCc2ccccc2C1Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
The InChIKey is XIOPCNHIUDRVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c1-9-6-7-10-4-2-3-5-11(10)14(9)19-13-8-12(16)18-15(17)20-13/h2-5,8-9,14H,6-7H2,1H3,(H3,17,18,19,20).
What are the key properties of 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine?
6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine has a molecular weight of 288.78 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 133430991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).