4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C13H22N4 — CID 80967655

IUPAC4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1cc(NC)nc(C(C)C)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-5-17(10-6-7-10)12-8-11(14-4)15-13(16-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUJCPEPJWWHVFEB-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.63
Rot. Bonds5

About 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80967655) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80967655
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCN(c1cc(NC)nc(C(C)C)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-5-17(10-6-7-10)12-8-11(14-4)15-13(16-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyUJCPEPJWWHVFEB-UHFFFAOYSA-N
XLogP2.63
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-6-N-methyl-2-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80967223
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954276
4-N-cyclopropyl-6-N-ethyl-4-N-(2-methoxyethyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961551
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960250
4-N-cyclohexyl-4-N,2-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934243
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
N-cyclopentyl-6-hydrazinyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968904
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957454
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80962058
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941086
4-N-cyclopropyl-6-N-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80954538

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80967655) is 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CCN(c1cc(NC)nc(C(C)C)n1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UJCPEPJWWHVFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-5-17(10-6-7-10)12-8-11(14-4)15-13(16-12)9(2)3/h8-10H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-ethyl-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).