N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine

C12H15N5O — CID 171607061

IUPACN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2cnn(CC3CCCO3)c2)nc1
InChIInChI=1S/C12H15N5O/c1-3-11(18-6-1)9-17-8-10(7-15-17)16-12-13-4-2-5-14-12/h2,4-5,7-8,11H,1,3,6,9H2,(H,13,14,16)
InChIKeyRYPBCTLYDITHEY-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.60
Rot. Bonds4

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

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine (PubChem CID 171607061) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
PubChem CID171607061
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC NameN-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine
SMILESc1cnc(Nc2cnn(CC3CCCO3)c2)nc1
InChIInChI=1S/C12H15N5O/c1-3-11(18-6-1)9-17-8-10(7-15-17)16-12-13-4-2-5-14-12/h2,4-5,7-8,11H,1,3,6,9H2,(H,13,14,16)
InChIKeyRYPBCTLYDITHEY-UHFFFAOYSA-N
XLogP1.60
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-bis(oxolan-2-ylmethyl)pyrazol-4-amine
CID 82835947
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]formamide
CID 64992205
N-(oxepan-4-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 65082002
N-(2-nitrophenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 60507129
2-(3-fluoro-2-pyridinyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 167784514
9-ethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]purin-6-amine
CID 154775697
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
4-chloro-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butane-1-sulfonamide
CID 116815736
N-(2,3-dihydro-1H-inden-1-yl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745571
1-(oxolan-2-ylmethyl)-N-(2-phenylpropyl)pyrazol-4-amine
CID 43745459
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine (CID 171607061) is N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine is c1cnc(Nc2cnn(CC3CCCO3)c2)nc1.
What is the InChIKey of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine?
The InChIKey is RYPBCTLYDITHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-3-11(18-6-1)9-17-8-10(7-15-17)16-12-13-4-2-5-14-12/h2,4-5,7-8,11H,1,3,6,9H2,(H,13,14,16).
What are the key properties of N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine?
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine has a molecular weight of 245.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 171607061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).