N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine

C12H20N4O — CID 112637135

IUPACN-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-8-17-11-4-6-13-12(15-11)14-10-5-7-16(2)9-10/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,15)
InChIKeyQSEYXDOKJJDLLP-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds5

About N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine

N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine (PubChem CID 112637135) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
PubChem CID112637135
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NC2CCN(C)C2)n1
InChIInChI=1S/C12H20N4O/c1-3-8-17-11-4-6-13-12(15-11)14-10-5-7-16(2)9-10/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,15)
InChIKeyQSEYXDOKJJDLLP-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxan-3-yl)-4-propoxypyrimidin-2-amine
CID 112637674
4-methoxy-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 112683417
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
N-[(4-methylmorpholin-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 112638136
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine (CID 112637135) is N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NC2CCN(C)C2)n1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine?
The InChIKey is QSEYXDOKJJDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-8-17-11-4-6-13-12(15-11)14-10-5-7-16(2)9-10/h4,6,10H,3,5,7-9H2,1-2H3,(H,13,14,15).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine?
N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112637135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).