4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

C16H24N6O — CID 50961389

IUPAC4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCOCc1cc(CNc2nc(N(C)C)nc3c2CCCC3)[nH]n1
InChIInChI=1S/C16H24N6O/c1-22(2)16-18-14-7-5-4-6-13(14)15(19-16)17-9-11-8-12(10-23-3)21-20-11/h8H,4-7,9-10H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyYGYSBQNVZWEQBE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.90
Rot. Bonds6

About 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine

4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (PubChem CID 50961389) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
PubChem CID50961389
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine
SMILESCOCc1cc(CNc2nc(N(C)C)nc3c2CCCC3)[nH]n1
InChIInChI=1S/C16H24N6O/c1-22(2)16-18-14-7-5-4-6-13(14)15(19-16)17-9-11-8-12(10-23-3)21-20-11/h8H,4-7,9-10H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyYGYSBQNVZWEQBE-UHFFFAOYSA-N
XLogP1.90
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The IUPAC name of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine (CID 50961389) is 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is COCc1cc(CNc2nc(N(C)C)nc3c2CCCC3)[nH]n1.
What is the InChIKey of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
The InChIKey is YGYSBQNVZWEQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-22(2)16-18-14-7-5-4-6-13(14)15(19-16)17-9-11-8-12(10-23-3)21-20-11/h8H,4-7,9-10H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine?
4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine has a molecular weight of 316.41 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine is sourced from PubChem (CID 50961389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).