5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine

C15H19N5 — CID 67096321

IUPAC5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
SMILESNCCc1c(N)nc(N)nc1[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H19N5/c16-7-6-10-13(19-15(18)20-14(10)17)12-8-11(12)9-4-2-1-3-5-9/h1-5,11-12H,6-8,16H2,(H4,17,18,19,20)/t11-,12+/m0/s1
InChIKeyVMEFHSZQFDEPIX-NWDGAFQWSA-N
MW269.35 g/mol
LogP1.41
Rot. Bonds4

About 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine

5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine (PubChem CID 67096321) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
PubChem CID67096321
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine
SMILESNCCc1c(N)nc(N)nc1[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C15H19N5/c16-7-6-10-13(19-15(18)20-14(10)17)12-8-11(12)9-4-2-1-3-5-9/h1-5,11-12H,6-8,16H2,(H4,17,18,19,20)/t11-,12+/m0/s1
InChIKeyVMEFHSZQFDEPIX-NWDGAFQWSA-N
XLogP1.41
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine (CID 67096321) is 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine is NCCc1c(N)nc(N)nc1[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
The InChIKey is VMEFHSZQFDEPIX-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H19N5/c16-7-6-10-13(19-15(18)20-14(10)17)12-8-11(12)9-4-2-1-3-5-9/h1-5,11-12H,6-8,16H2,(H4,17,18,19,20)/t11-,12+/m0/s1.
What are the key properties of 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine?
5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine has a molecular weight of 269.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-6-[(1R,2R)-2-phenylcyclopropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).