4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

C11H18N4 — CID 80774560

IUPAC4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)C1CC1
InChIInChI=1S/C11H18N4/c1-3-4-9-10(12)13-7-14-11(9)15(2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyWVRREPMOONBJSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.61
Rot. Bonds4

About 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 80774560) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID80774560
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(C)C1CC1
InChIInChI=1S/C11H18N4/c1-3-4-9-10(12)13-7-14-11(9)15(2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyWVRREPMOONBJSX-UHFFFAOYSA-N
XLogP1.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine (CID 80774560) is 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(C)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is WVRREPMOONBJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-4-9-10(12)13-7-14-11(9)15(2)8-5-6-8/h7-8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80774560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).