N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

C16H19N5O2 — CID 126769853

IUPACN-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N(Cc3ccco3)CC3CCCO3)ncnc21
InChIInChI=1S/C16H19N5O2/c1-20-15-14(8-19-20)16(18-11-17-15)21(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3
InChIKeyJYZVNCUOHYZRKR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.14
Rot. Bonds5

About N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine

N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 126769853) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID126769853
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N(Cc3ccco3)CC3CCCO3)ncnc21
InChIInChI=1S/C16H19N5O2/c1-20-15-14(8-19-20)16(18-11-17-15)21(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3
InChIKeyJYZVNCUOHYZRKR-UHFFFAOYSA-N
XLogP2.14
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 50806148
1,6-dimethyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 126783872
1-(2-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 51699860
3-bromo-1-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine
CID 133365584
4-[furan-2-ylmethyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 97231281
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 124880309
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 95798351
7-benzyl-N-(furan-2-ylmethyl)-2-methyl-N-(oxolan-2-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 110214334
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
1-(1-cyclopentylpiperidin-4-yl)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)methanamine
CID 45219091
N-(2-bromocyclohexyl)-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 102637671
2-[cyclopropylmethyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]acetic acid
CID 43656383

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine (CID 126769853) is N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is Cn1ncc2c(N(Cc3ccco3)CC3CCCO3)ncnc21.
What is the InChIKey of N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is JYZVNCUOHYZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-20-15-14(8-19-20)16(18-11-17-15)21(9-12-4-2-6-22-12)10-13-5-3-7-23-13/h2,4,6,8,11,13H,3,5,7,9-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine?
N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 313.36 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-methyl-N-(oxolan-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 126769853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).