2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

C15H27N5 — CID 80957220

IUPAC2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H27N5/c1-10(2)15-18-13(16)7-14(19-15)17-8-12-5-6-20(9-12)11(3)4/h7,10-12H,5-6,8-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyIYZNRROWTUEMNM-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.32
Rot. Bonds5

About 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine

2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 80957220) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
PubChem CID80957220
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
SMILESCC(C)c1nc(N)cc(NCC2CCN(C(C)C)C2)n1
InChIInChI=1S/C15H27N5/c1-10(2)15-18-13(16)7-14(19-15)17-8-12-5-6-20(9-12)11(3)4/h7,10-12H,5-6,8-9H2,1-4H3,(H3,16,17,18,19)
InChIKeyIYZNRROWTUEMNM-UHFFFAOYSA-N
XLogP2.32
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974576
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbothioamide
CID 114767545
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
CID 104534038
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
6-methoxy-2-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-2,3-diamine
CID 115320664
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 61253592
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
4-fluoro-5-methyl-1-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,2-diamine
CID 103590249
2-chloro-5-methyl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzene-1,4-diamine
CID 115554823

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine (CID 80957220) is 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is CC(C)c1nc(N)cc(NCC2CCN(C(C)C)C2)n1.
What is the InChIKey of 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is IYZNRROWTUEMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-10(2)15-18-13(16)7-14(19-15)17-8-12-5-6-20(9-12)11(3)4/h7,10-12H,5-6,8-9H2,1-4H3,(H3,16,17,18,19).
What are the key properties of 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine?
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80957220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).