N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine

C20H24N8O — CID 126891335

IUPACN-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3cncc(-n4cccn4)n3)CC2)ncn1
InChIInChI=1S/C20H24N8O/c1-29-20-11-17(22-14-23-20)28(15-3-4-15)16-5-9-26(10-6-16)18-12-21-13-19(25-18)27-8-2-7-24-27/h2,7-8,11-16H,3-6,9-10H2,1H3
InChIKeyAJXFVLJTGQUNMX-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.10
Rot. Bonds6

About N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126891335) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126891335
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC NameN-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCOc1cc(N(C2CC2)C2CCN(c3cncc(-n4cccn4)n3)CC2)ncn1
InChIInChI=1S/C20H24N8O/c1-29-20-11-17(22-14-23-20)28(15-3-4-15)16-5-9-26(10-6-16)18-12-21-13-19(25-18)27-8-2-7-24-27/h2,7-8,11-16H,3-6,9-10H2,1H3
InChIKeyAJXFVLJTGQUNMX-UHFFFAOYSA-N
XLogP2.10
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine with MolForge

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Related Compounds

N-cyclopropyl-6-methoxy-N-(1-pyrazin-2-ylpyrrolidin-3-yl)pyrimidin-4-amine
CID 171705072
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171326942
N-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 126891163
N-cyclopropyl-6-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126891328
N-cyclopropyl-6-methoxy-N-piperidin-4-ylpyrimidin-4-amine
CID 126851874
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144
N-cyclopropyl-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 171326572
N-cyclopropyl-N-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126891189
N-[1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171999040
1-(6-pyrazol-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 146134490
N-cyclopropyl-N-(1-furo[2,3-d]pyridazin-7-ylpiperidin-4-yl)-6-methoxypyrimidin-4-amine
CID 126891315
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methylpyrazine
CID 155799860

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126891335) is N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine is COc1cc(N(C2CC2)C2CCN(c3cncc(-n4cccn4)n3)CC2)ncn1.
What is the InChIKey of N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is AJXFVLJTGQUNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-29-20-11-17(22-14-23-20)28(15-3-4-15)16-5-9-26(10-6-16)18-12-21-13-19(25-18)27-8-2-7-24-27/h2,7-8,11-16H,3-6,9-10H2,1H3.
What are the key properties of N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 392.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methoxy-N-[1-(6-pyrazol-1-ylpyrazin-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126891335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).