2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine

C15H27N5 — CID 80981871

IUPAC2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NCC(C)(C)CN(C)C
InChIInChI=1S/C15H27N5/c1-10-12(16)18-14(11-6-7-11)19-13(10)17-8-15(2,3)9-20(4)5/h11H,6-9H2,1-5H3,(H3,16,17,18,19)
InChIKeyWPEBDLGWLLSVIM-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.24
Rot. Bonds6

About 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine (PubChem CID 80981871) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
PubChem CID80981871
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C2CC2)nc1NCC(C)(C)CN(C)C
InChIInChI=1S/C15H27N5/c1-10-12(16)18-14(11-6-7-11)19-13(10)17-8-15(2,3)9-20(4)5/h11H,6-9H2,1-5H3,(H3,16,17,18,19)
InChIKeyWPEBDLGWLLSVIM-UHFFFAOYSA-N
XLogP2.24
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150366
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 80950737
N'-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 80932586
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424259
N-[2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80993649
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
2-cyclopropyl-5-methyl-4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80984275
2-cyclopropyl-4-N-(3,5-dimethylphenyl)-5-methylpyrimidine-4,6-diamine
CID 80981554

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine (CID 80981871) is 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine is Cc1c(N)nc(C2CC2)nc1NCC(C)(C)CN(C)C.
What is the InChIKey of 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine?
The InChIKey is WPEBDLGWLLSVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10-12(16)18-14(11-6-7-11)19-13(10)17-8-15(2,3)9-20(4)5/h11H,6-9H2,1-5H3,(H3,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80981871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).