5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine

C14H16N4 — CID 164630320

IUPAC5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H16N4/c1-9-8-16-14(15)18-13(9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H3,15,16,17,18)/t11-,12+/m1/s1
InChIKeyWDGHXXDVYPCGKF-NEPJUHHUSA-N
MW240.31 g/mol
LogP2.34
Rot. Bonds3

About 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine

5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine (PubChem CID 164630320) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
PubChem CID164630320
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C14H16N4/c1-9-8-16-14(15)18-13(9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H3,15,16,17,18)/t11-,12+/m1/s1
InChIKeyWDGHXXDVYPCGKF-NEPJUHHUSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine (CID 164630320) is 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The InChIKey is WDGHXXDVYPCGKF-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H16N4/c1-9-8-16-14(15)18-13(9)17-12-7-11(12)10-5-3-2-4-6-10/h2-6,8,11-12H,7H2,1H3,(H3,15,16,17,18)/t11-,12+/m1/s1.
What are the key properties of 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[(1S,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 164630320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).