2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine

C10H14N4 — CID 121206040

IUPAC2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H14N4/c1-2-5-12-9-6-8(11)13-10(14-9)7-3-4-7/h2,6-7H,1,3-5H2,(H3,11,12,13,14)
InChIKeyQUARCQQIJFRYDP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.53
Rot. Bonds4

About 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 121206040) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID121206040
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C10H14N4/c1-2-5-12-9-6-8(11)13-10(14-9)7-3-4-7/h2,6-7H,1,3-5H2,(H3,11,12,13,14)
InChIKeyQUARCQQIJFRYDP-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453
2-cyclopropyl-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
CID 113495358
2-cyclopropyl-4-N-(4-methoxybutyl)pyrimidine-4,6-diamine
CID 80957499
[2-[[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 80959887
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
2-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80968050
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 114176051
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032
2-cyclopropyl-4-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 83117793
1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169928
2-cyclopropyl-4-N-[(3,4-difluorophenyl)methyl]pyrimidine-4,6-diamine
CID 80961888

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine (CID 121206040) is 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is QUARCQQIJFRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-5-12-9-6-8(11)13-10(14-9)7-3-4-7/h2,6-7H,1,3-5H2,(H3,11,12,13,14).
What are the key properties of 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 121206040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).