N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C12H20N4 — CID 61253592

IUPACN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2ccncn2)C1
InChIInChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyMOXMLWMVIFVOQZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.62
Rot. Bonds4

About N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 61253592) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID61253592
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCC(C)N1CCC(CNc2ccncn2)C1
InChIInChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15)
InChIKeyMOXMLWMVIFVOQZ-UHFFFAOYSA-N
XLogP1.62
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
6-hydrazinyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 80908827
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 72907175
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 61253564
2-cyclopropyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1H-pyrimidin-6-one
CID 136974576
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601208
2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
N-[(3-aminocyclopentyl)methyl]pyrimidin-4-amine
CID 83619904
5-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridine-3,5-diamine
CID 104534038
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80957220

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 61253592) is N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is CC(C)N1CCC(CNc2ccncn2)C1.
What is the InChIKey of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is MOXMLWMVIFVOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-10(2)16-6-4-11(8-16)7-14-12-3-5-13-9-15-12/h3,5,9-11H,4,6-8H2,1-2H3,(H,13,14,15).
What are the key properties of N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61253592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).