N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine

C12H20N4O — CID 66330565

IUPACN-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCN(C)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-6-11(13-8-14-12)15-10-4-5-16(3)7-10/h6,8-10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyVRXPCDKKAMWLMX-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.38
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine

N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine (PubChem CID 66330565) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
PubChem CID66330565
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine
SMILESCC(C)Oc1cc(NC2CCN(C)C2)ncn1
InChIInChI=1S/C12H20N4O/c1-9(2)17-12-6-11(13-8-14-12)15-10-4-5-16(3)7-10/h6,8-10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyVRXPCDKKAMWLMX-UHFFFAOYSA-N
XLogP1.38
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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-cyclohexyl-6-propan-2-yloxypyrimidin-4-amine
CID 66326722
N-(3,3-dimethylcyclopentyl)-6-propan-2-yloxypyrimidin-4-amine
CID 114547927
N-(6-propan-2-yloxypyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 66331604
2-[[6-[(1-methylpyrrolidin-3-yl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264399
N-(2,2-dimethyloxan-4-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 83029026
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66329616
N-(1-cyclopropylpropan-2-yl)-6-propan-2-yloxypyrimidin-4-amine
CID 66330794
N-(2-chlorocycloheptyl)-6-propan-2-yloxypyrimidin-4-amine
CID 113395027
6-ethoxy-N-(1-propylpiperidin-4-yl)pyrimidin-4-amine
CID 66330964
5-methyl-2-N-(1-methylpyrrolidin-3-yl)pyridine-2,4-diamine
CID 83266421
N-[1-(cyclopentylmethyl)piperidin-4-yl]-6-ethoxypyrimidin-4-amine
CID 133490645
N-(azetidin-3-yl)-6-methoxypyrimidin-4-amine
CID 66319421

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine (CID 66330565) is N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine is CC(C)Oc1cc(NC2CCN(C)C2)ncn1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
The InChIKey is VRXPCDKKAMWLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)17-12-6-11(13-8-14-12)15-10-4-5-16(3)7-10/h6,8-10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine?
N-(1-methylpyrrolidin-3-yl)-6-propan-2-yloxypyrimidin-4-amine has a molecular weight of 236.32 g/mol, XLogP of 1.38, 4 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)-6-propan-2-yloxypyrimidin-4-amine is sourced from PubChem (CID 66330565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).