4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine

C8H12N4 — CID 70499830

IUPAC4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(N)n1)C1CC1
InChIInChI=1S/C8H12N4/c1-12(6-2-3-6)7-4-5-10-8(9)11-7/h4-6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFHUAPNUQKULKJP-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.66
Rot. Bonds2

About 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine

4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine (PubChem CID 70499830) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
PubChem CID70499830
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine
SMILESCN(c1ccnc(N)n1)C1CC1
InChIInChI=1S/C8H12N4/c1-12(6-2-3-6)7-4-5-10-8(9)11-7/h4-6H,2-3H2,1H3,(H2,9,10,11)
InChIKeyFHUAPNUQKULKJP-UHFFFAOYSA-N
XLogP0.66
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.66
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-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine (CID 70499830) is 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine is CN(c1ccnc(N)n1)C1CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is FHUAPNUQKULKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c1-12(6-2-3-6)7-4-5-10-8(9)11-7/h4-6H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine?
4-N-cyclopropyl-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 164.21 g/mol, XLogP of 0.66, 2 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 70499830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).