N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H22N4O — CID 114138482

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCCN2C)n1
InChIInChI=1S/C13H22N4O/c1-10(2)18-12-6-7-14-13(16-12)15-9-11-5-4-8-17(11)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyCKECPZPNCIHBFG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 114138482) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID114138482
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCC(C)Oc1ccnc(NCC2CCCN2C)n1
InChIInChI=1S/C13H22N4O/c1-10(2)18-12-6-7-14-13(16-12)15-9-11-5-4-8-17(11)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,15,16)
InChIKeyCKECPZPNCIHBFG-UHFFFAOYSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975078
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
2-N-[(1-methylpyrrolidin-2-yl)methyl]pyrimidine-2,4-diamine
CID 106028625
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-[[2-(aminomethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975730
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975697
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
N-[(3-aminocyclopentyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 106126729
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115974164
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 114138482) is N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is CC(C)Oc1ccnc(NCC2CCCN2C)n1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is CKECPZPNCIHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)18-12-6-7-14-13(16-12)15-9-11-5-4-8-17(11)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 114138482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).