4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H26N4 — CID 107403147

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC1CCC1)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H26N4/c1-5-19(9-12-7-6-8-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyKARQYPHSJWDDHT-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.12
Rot. Bonds5

About 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107403147) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107403147
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(CC1CCC1)c1nc(C(C)C)nc(N)c1C
InChIInChI=1S/C15H26N4/c1-5-19(9-12-7-6-8-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3,(H2,16,17,18)
InChIKeyKARQYPHSJWDDHT-UHFFFAOYSA-N
XLogP3.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclobutylmethyl)-2-cyclopropyl-4-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 107403129
4-N-(cyclopropylmethyl)-4-N-ethyl-2,5-dimethylpyrimidine-4,6-diamine
CID 80838815
4-N-(cyclopropylmethyl)-5-methyl-4-N,2-di(propan-2-yl)pyrimidine-4,6-diamine
CID 80982410
4-N-ethyl-5-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993450
4-N-ethyl-5-methyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992209
4-N,4-N-dibutyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976255
4-N,5-dimethyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80993107
4-N,5-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80993583
5-N-(cyclobutylmethyl)-5-N-ethyl-4-methyl-1,2-thiazole-3,5-diamine
CID 107403290
6-(2-cyclobutylethoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114158255
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 113426551
2-tert-butyl-4-N,4-N-bis(cyclopropylmethyl)-5-methylpyrimidine-4,6-diamine
CID 80983873

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 107403147) is 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCN(CC1CCC1)c1nc(C(C)C)nc(N)c1C.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KARQYPHSJWDDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-19(9-12-7-6-8-12)15-11(4)13(16)17-14(18-15)10(2)3/h10,12H,5-9H2,1-4H3,(H2,16,17,18).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107403147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).