N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine

C15H17N3O2 — CID 61242269

IUPACN-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2cccc3c2OCO3)ncn1
InChIInChI=1S/C15H17N3O2/c1-2-4-12-7-14(18-9-17-12)16-8-11-5-3-6-13-15(11)20-10-19-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,16,17,18)
InChIKeyNHFCEGRVWLIHNF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.77
Rot. Bonds5

About N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine

N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 61242269) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
PubChem CID61242269
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCc2cccc3c2OCO3)ncn1
InChIInChI=1S/C15H17N3O2/c1-2-4-12-7-14(18-9-17-12)16-8-11-5-3-6-13-15(11)20-10-19-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,16,17,18)
InChIKeyNHFCEGRVWLIHNF-UHFFFAOYSA-N
XLogP2.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propylpyrimidin-4-amine
CID 106194190
4-(1,3-benzodioxol-4-ylmethylamino)-1H-pyrimidin-6-one
CID 136974593
N-(1,3-benzodioxol-4-ylmethyl)-4-propylaniline
CID 43583678
N-(1,3-benzodioxol-5-ylmethyl)-6-ethylpyrimidin-4-amine
CID 55131031
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
N-(1,3-benzodioxol-4-ylmethyl)-5-phenylpyridin-2-amine
CID 112844052
1-(1,3-benzodioxol-4-yl)-N-ethoxymethanamine
CID 82710463
N-(cyclobutylmethyl)-6-propylpyrimidin-4-amine
CID 61241873
N-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
N-(1,3-benzodioxol-4-ylmethyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 106194177
N-(1,3-benzodioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372431
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-propylpyrimidin-4-amine
CID 61240534

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine (CID 61242269) is N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCc2cccc3c2OCO3)ncn1.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is NHFCEGRVWLIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-4-12-7-14(18-9-17-12)16-8-11-5-3-6-13-15(11)20-10-19-13/h3,5-7,9H,2,4,8,10H2,1H3,(H,16,17,18).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine?
N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61242269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).