N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine

C18H20N8 — CID 110258979

IUPACN-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESc1cnc(N2CCCC(Cc3cc(Nc4cnccn4)ncn3)C2)nc1
InChIInChI=1S/C18H20N8/c1-3-14(12-26(8-1)18-21-4-2-5-22-18)9-15-10-16(24-13-23-15)25-17-11-19-6-7-20-17/h2,4-7,10-11,13-14H,1,3,8-9,12H2,(H,20,23,24,25)
InChIKeyWIHRDMGPASXQRL-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.26
Rot. Bonds5

About N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine

N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 110258979) has the molecular formula C18H20N8 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID110258979
Molecular FormulaC18H20N8
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine
SMILESc1cnc(N2CCCC(Cc3cc(Nc4cnccn4)ncn3)C2)nc1
InChIInChI=1S/C18H20N8/c1-3-14(12-26(8-1)18-21-4-2-5-22-18)9-15-10-16(24-13-23-15)25-17-11-19-6-7-20-17/h2,4-7,10-11,13-14H,1,3,8-9,12H2,(H,20,23,24,25)
InChIKeyWIHRDMGPASXQRL-UHFFFAOYSA-N
XLogP2.26
TPSA92.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]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-pyrazin-2-yl-6-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazin-2-amine
CID 110094062
N-methyl-6-[[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124975028
N-[6-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]-2-pyridinyl]pyrazin-2-amine
CID 95815305
N-methyl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrazin-2-amine
CID 110095069
N-(2,6-difluorophenyl)-2-[4-[[6-(pyrazin-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]acetamide
CID 95843245
N-[4-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyridinyl]pyrazin-2-amine
CID 110097846
4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910
2-[(3S)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840909
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
2-[3-(2-bromoethyl)piperidin-1-yl]pyrimidine
CID 80679402
N-(3-methyl-2-pyridinyl)-6-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 110270079

Frequently Asked Questions

What is the IUPAC name of N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine (CID 110258979) is N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine is c1cnc(N2CCCC(Cc3cc(Nc4cnccn4)ncn3)C2)nc1.
What is the InChIKey of N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is WIHRDMGPASXQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8/c1-3-14(12-26(8-1)18-21-4-2-5-22-18)9-15-10-16(24-13-23-15)25-17-11-19-6-7-20-17/h2,4-7,10-11,13-14H,1,3,8-9,12H2,(H,20,23,24,25).
What are the key properties of N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine?
N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 348.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazin-2-yl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 110258979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).