4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine

C12H15N5 — CID 58393152

IUPAC4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
SMILESNCCc1ccc(Nc2ccnc(N)n2)cc1
InChIInChI=1S/C12H15N5/c13-7-5-9-1-3-10(4-2-9)16-11-6-8-15-12(14)17-11/h1-4,6,8H,5,7,13H2,(H3,14,15,16,17)
InChIKeyAACSWIGMVPTNPI-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.30
Rot. Bonds4

About 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine

4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 58393152) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID58393152
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine
SMILESNCCc1ccc(Nc2ccnc(N)n2)cc1
InChIInChI=1S/C12H15N5/c13-7-5-9-1-3-10(4-2-9)16-11-6-8-15-12(14)17-11/h1-4,6,8H,5,7,13H2,(H3,14,15,16,17)
InChIKeyAACSWIGMVPTNPI-UHFFFAOYSA-N
XLogP1.30
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Dapivirine
CID 214347
Rilpivirine
CID 6451164
2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
Rilpivirine Hydrochloride
CID 11711114
4-Phenylpyrimidine
CID 18923
N-2-Pyridylaniline
CID 81130
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
WZ 811
CID 11565518
5-Phenyl-2,4-pyrimidinediamine
CID 134761
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine (CID 58393152) is 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine is NCCc1ccc(Nc2ccnc(N)n2)cc1.
What is the InChIKey of 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is AACSWIGMVPTNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c13-7-5-9-1-3-10(4-2-9)16-11-6-8-15-12(14)17-11/h1-4,6,8H,5,7,13H2,(H3,14,15,16,17).
What are the key properties of 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine?
4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 229.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(2-aminoethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 58393152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).