N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

C20H30N6O — CID 77085783

IUPACN-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnn(CCC2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)c1
InChIInChI=1S/C20H30N6O/c1-3-19(27-12-1)15-23-20-21-13-18(14-22-20)16-25-9-4-17(5-10-25)6-11-26-8-2-7-24-26/h2,7-8,13-14,17,19H,1,3-6,9-12,15-16H2,(H,21,22,23)
InChIKeyKFKUNHPFZRJFON-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.57
Rot. Bonds8

About N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (PubChem CID 77085783) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
PubChem CID77085783
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC NameN-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
SMILESc1cnn(CCC2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)c1
InChIInChI=1S/C20H30N6O/c1-3-19(27-12-1)15-23-20-21-13-18(14-22-20)16-25-9-4-17(5-10-25)6-11-26-8-2-7-24-26/h2,7-8,13-14,17,19H,1,3-6,9-12,15-16H2,(H,21,22,23)
InChIKeyKFKUNHPFZRJFON-UHFFFAOYSA-N
XLogP2.57
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine (CID 77085783) is N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is c1cnn(CCC2CCN(Cc3cnc(NCC4CCCO4)nc3)CC2)c1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
The InChIKey is KFKUNHPFZRJFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-19(27-12-1)15-23-20-21-13-18(14-22-20)16-25-9-4-17(5-10-25)6-11-26-8-2-7-24-26/h2,7-8,13-14,17,19H,1,3-6,9-12,15-16H2,(H,21,22,23).
What are the key properties of N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine has a molecular weight of 370.50 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-5-[[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 77085783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).