4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine

C13H22N4 — CID 114102533

IUPAC4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(CC)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-8-14-12-15-9-5-11(17-12)16-10-13(4-2)6-7-13/h5,9H,3-4,6-8,10H2,1-2H3,(H2,14,15,16,17)
InChIKeyAGPRFXRPNLDYGF-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.90
Rot. Bonds7

About 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine

4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 114102533) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID114102533
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nccc(NCC2(CC)CC2)n1
InChIInChI=1S/C13H22N4/c1-3-8-14-12-15-9-5-11(17-12)16-10-13(4-2)6-7-13/h5,9H,3-4,6-8,10H2,1-2H3,(H2,14,15,16,17)
InChIKeyAGPRFXRPNLDYGF-UHFFFAOYSA-N
XLogP2.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838837
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-propylpyrimidine-2,4-diamine
CID 105420883
4-[[[2-(propylamino)pyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132040
[1-[[[2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457191
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
4-N-(3-cyclopentylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 106014980
4-N-[(3-methylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854631
4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80807385
4-N-(5-methoxypentyl)-2-N-propylpyrimidine-2,4-diamine
CID 114131267
2-N-propyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-2,4-diamine
CID 115523174
N-[(1-ethylcyclopentyl)methyl]-4-methoxypyrimidin-2-amine
CID 114125798

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine (CID 114102533) is 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nccc(NCC2(CC)CC2)n1.
What is the InChIKey of 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is AGPRFXRPNLDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-8-14-12-15-9-5-11(17-12)16-10-13(4-2)6-7-13/h5,9H,3-4,6-8,10H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine?
4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylcyclopropyl)methyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 114102533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).