N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine

C15H21N7O — CID 154575618

IUPACN-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(c3nccc(OC)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-3-16-12-4-6-17-14(19-12)21-8-10-22(11-9-21)15-18-7-5-13(20-15)23-2/h4-7H,3,8-11H2,1-2H3,(H,16,17,19)
InChIKeyNGNHMOIGDGQJCJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.03
Rot. Bonds5

About N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine

N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 154575618) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID154575618
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC NameN-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCCNc1ccnc(N2CCN(c3nccc(OC)n3)CC2)n1
InChIInChI=1S/C15H21N7O/c1-3-16-12-4-6-17-14(19-12)21-8-10-22(11-9-21)15-18-7-5-13(20-15)23-2/h4-7H,3,8-11H2,1-2H3,(H,16,17,19)
InChIKeyNGNHMOIGDGQJCJ-UHFFFAOYSA-N
XLogP1.03
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-amine
CID 165433124
2-(1,4-diazepan-1-yl)-N-ethylpyrimidin-4-amine
CID 121204945
2-[4-[4-(ethylamino)pyrimidin-2-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351031
4-methoxy-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 166900843
2-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]-4-methoxypyrimidine
CID 154772463
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethylpyrimidin-4-amine
CID 50950844
2-[4-[(3,5-difluoro-4-pyridinyl)methyl]piperazin-1-yl]-N-ethylpyrimidin-4-amine
CID 166604798
2-cyclopropyl-4-ethyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154828961
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 146078262

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine (CID 154575618) is N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine is CCNc1ccnc(N2CCN(c3nccc(OC)n3)CC2)n1.
What is the InChIKey of N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is NGNHMOIGDGQJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-3-16-12-4-6-17-14(19-12)21-8-10-22(11-9-21)15-18-7-5-13(20-15)23-2/h4-7H,3,8-11H2,1-2H3,(H,16,17,19).
What are the key properties of N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine?
N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 154575618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).