4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C13H22N4 — CID 80821545

IUPAC4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(CC2CC2)C(C)C)nc(C)n1
InChIInChI=1S/C13H22N4/c1-9(2)17(8-11-5-6-11)13-7-12(14-4)15-10(3)16-13/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyJOJGKBHMMQVHLE-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.45
Rot. Bonds5

About 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80821545) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80821545
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(CC2CC2)C(C)C)nc(C)n1
InChIInChI=1S/C13H22N4/c1-9(2)17(8-11-5-6-11)13-7-12(14-4)15-10(3)16-13/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyJOJGKBHMMQVHLE-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80821545) is 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(CC2CC2)C(C)C)nc(C)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is JOJGKBHMMQVHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)17(8-11-5-6-11)13-7-12(14-4)15-10(3)16-13/h7,9,11H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).