4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

C16H29N5 — CID 80983504

IUPAC4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(N(C)CCN2CCCC2)c1C
InChIInChI=1S/C16H29N5/c1-12(2)14-18-15(17-4)13(3)16(19-14)20(5)10-11-21-8-6-7-9-21/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyLYXZWWYSCNORNF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.48
Rot. Bonds6

About 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine

4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80983504) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
PubChem CID80983504
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
SMILESCNc1nc(C(C)C)nc(N(C)CCN2CCCC2)c1C
InChIInChI=1S/C16H29N5/c1-12(2)14-18-15(17-4)13(3)16(19-14)20(5)10-11-21-8-6-7-9-21/h12H,6-11H2,1-5H3,(H,17,18,19)
InChIKeyLYXZWWYSCNORNF-UHFFFAOYSA-N
XLogP2.48
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]ethanol
CID 80980902
4-N-(cyclobutylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80983277
1-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-2-ol
CID 80982737
4-N-(cyclopropylmethyl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986468
2-[methyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-N-propan-2-ylacetamide
CID 80993955
2-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]ethanol
CID 81001694
4-N-[3-(dimethylamino)propyl]-4-N-ethyl-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 102998896
4-N-(1-methoxypropan-2-yl)-4-N,6-N,5-trimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986345
3-[cyclobutyl-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propan-1-ol
CID 102875528
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
4-N,6-N,2,5-tetramethyl-4-N-(2-propan-2-yloxyethyl)pyrimidine-4,6-diamine
CID 81067453

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine (CID 80983504) is 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is CNc1nc(C(C)C)nc(N(C)CCN2CCCC2)c1C.
What is the InChIKey of 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is LYXZWWYSCNORNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-12(2)14-18-15(17-4)13(3)16(19-14)20(5)10-11-21-8-6-7-9-21/h12H,6-11H2,1-5H3,(H,17,18,19).
What are the key properties of 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine?
4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N,5-trimethyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80983504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).