N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H20N6O2 — CID 110117846

IUPACN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(c2ncc(CNC(=O)c3cnn4cccnc34)cn2)CCCCO1
InChIInChI=1S/C18H20N6O2/c1-18(5-2-3-8-26-18)17-21-10-13(11-22-17)9-20-16(25)14-12-23-24-7-4-6-19-15(14)24/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H,20,25)
InChIKeyVMPDSYHQCWEBAM-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.87
Rot. Bonds4

About N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110117846) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110117846
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(c2ncc(CNC(=O)c3cnn4cccnc34)cn2)CCCCO1
InChIInChI=1S/C18H20N6O2/c1-18(5-2-3-8-26-18)17-21-10-13(11-22-17)9-20-16(25)14-12-23-24-7-4-6-19-15(14)24/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H,20,25)
InChIKeyVMPDSYHQCWEBAM-UHFFFAOYSA-N
XLogP1.87
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110117846) is N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(c2ncc(CNC(=O)c3cnn4cccnc34)cn2)CCCCO1.
What is the InChIKey of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VMPDSYHQCWEBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-18(5-2-3-8-26-18)17-21-10-13(11-22-17)9-20-16(25)14-12-23-24-7-4-6-19-15(14)24/h4,6-7,10-12H,2-3,5,8-9H2,1H3,(H,20,25).
What are the key properties of N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110117846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).