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

C10H14N4 — CID 116797183

IUPAC2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCN(c1nccc(N)n1)C1CC1
InChIInChI=1S/C10H14N4/c1-2-7-14(8-3-4-8)10-12-6-5-9(11)13-10/h2,5-6,8H,1,3-4,7H2,(H2,11,12,13)
InChIKeyDRQUAFGUQAUJFW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.21
Rot. Bonds4

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

2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine (PubChem CID 116797183) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
PubChem CID116797183
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
SMILESC=CCN(c1nccc(N)n1)C1CC1
InChIInChI=1S/C10H14N4/c1-2-7-14(8-3-4-8)10-12-6-5-9(11)13-10/h2,5-6,8H,1,3-4,7H2,(H2,11,12,13)
InChIKeyDRQUAFGUQAUJFW-UHFFFAOYSA-N
XLogP1.21
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine (CID 116797183) is 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine is C=CCN(c1nccc(N)n1)C1CC1.
What is the InChIKey of 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
The InChIKey is DRQUAFGUQAUJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-7-14(8-3-4-8)10-12-6-5-9(11)13-10/h2,5-6,8H,1,3-4,7H2,(H2,11,12,13).
What are the key properties of 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine?
2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine has a molecular weight of 190.25 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine is sourced from PubChem (CID 116797183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).