4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine

C15H25N5 — CID 80934460

IUPAC4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCN(C3CC3)C2)nc(CC)n1
InChIInChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)9-15(19-13)17-11-7-8-20(10-11)12-5-6-12/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyHPYHBBAMRIOYJO-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.12
Rot. Bonds6

About 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine

4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine (PubChem CID 80934460) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
PubChem CID80934460
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine
SMILESCCNc1cc(NC2CCN(C3CC3)C2)nc(CC)n1
InChIInChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)9-15(19-13)17-11-7-8-20(10-11)12-5-6-12/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19)
InChIKeyHPYHBBAMRIOYJO-UHFFFAOYSA-N
XLogP2.12
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80813937
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954685
6-N,2-diethyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80940140
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80813186
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(1,1-dioxothian-4-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934204
6-N,2-diethyl-4-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)pyrimidine-4,6-diamine
CID 80934511
2-tert-butyl-4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80968131
4-N-(2,3-dihydro-1H-inden-2-yl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 107855395
6-N-ethyl-4-N-(1-ethylpiperidin-3-yl)-2-propylpyrimidine-4,6-diamine
CID 80941716
6-N,2-diethyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80933549
N-(1-cyclopropylpyrrolidin-3-yl)-6-hydrazinyl-2-methylsulfanylpyrimidin-4-amine
CID 80904074

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine (CID 80934460) is 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine is CCNc1cc(NC2CCN(C3CC3)C2)nc(CC)n1.
What is the InChIKey of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
The InChIKey is HPYHBBAMRIOYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-3-13-18-14(16-4-2)9-15(19-13)17-11-7-8-20(10-11)12-5-6-12/h9,11-12H,3-8,10H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine?
4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine has a molecular weight of 275.40 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylpyrrolidin-3-yl)-6-N,2-diethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80934460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).