2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

C16H21N5 — CID 80960493

IUPAC2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5/c1-3-18-14-9-15(21-16(20-14)12-6-7-12)19-11(2)13-5-4-8-17-10-13/h4-5,8-12H,3,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyXYIJWZCXRSFSQV-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.35
Rot. Bonds6

About 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine

2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80960493) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80960493
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NC(C)c2cccnc2)nc(C2CC2)n1
InChIInChI=1S/C16H21N5/c1-3-18-14-9-15(21-16(20-14)12-6-7-12)19-11(2)13-5-4-8-17-10-13/h4-5,8-12H,3,6-7H2,1-2H3,(H2,18,19,20,21)
InChIKeyXYIJWZCXRSFSQV-UHFFFAOYSA-N
XLogP3.35
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-2-propyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80940280
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]propanamide
CID 80967066
2-propan-2-yl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968080
2-cyclopropyl-6-methoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82456359
6-chloro-2-propan-2-yl-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80953767
2-cyclopropyl-6-N-methyl-4-N-(2-pyridin-3-ylethyl)pyrimidine-4,6-diamine
CID 80968028
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
N-[(4-cyclopropylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 79979049
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
6-fluoro-N-(1-pyridin-3-ylethyl)pyridin-2-amine
CID 61228601
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
4-N-[1-(3-bromophenyl)ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80807102

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine (CID 80960493) is 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(NC(C)c2cccnc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is XYIJWZCXRSFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-3-18-14-9-15(21-16(20-14)12-6-7-12)19-11(2)13-5-4-8-17-10-13/h4-5,8-12H,3,6-7H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine?
2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 283.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-N-ethyl-4-N-(1-pyridin-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).