2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C16H26N4 — CID 50977340

IUPAC2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESC=CCN1CCC(CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C16H26N4/c1-5-7-20-8-6-14(11-20)10-17-16-9-15(12(2)3)18-13(4)19-16/h5,9,12,14H,1,6-8,10-11H2,2-4H3,(H,17,18,19)
InChIKeyNNAZBEOOMWQBBY-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.83
Rot. Bonds6

About 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 50977340) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID50977340
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESC=CCN1CCC(CNc2cc(C(C)C)nc(C)n2)C1
InChIInChI=1S/C16H26N4/c1-5-7-20-8-6-14(11-20)10-17-16-9-15(12(2)3)18-13(4)19-16/h5,9,12,14H,1,6-8,10-11H2,2-4H3,(H,17,18,19)
InChIKeyNNAZBEOOMWQBBY-UHFFFAOYSA-N
XLogP2.83
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(piperidin-4-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 94076556
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,6-dimethylpyrimidin-4-amine
CID 54939293
2-methyl-N-(piperidin-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 110277770
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80899426
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
2-methyl-6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyridine-4-carbonitrile
CID 114766146
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-1-(1-prop-2-enylpyrrolidin-3-yl)methanamine
CID 46989875
2-chloro-6-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 62482811
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 61240938
N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 95122382
2-propan-2-yl-4-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80957220
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 50977340) is 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is C=CCN1CCC(CNc2cc(C(C)C)nc(C)n2)C1.
What is the InChIKey of 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is NNAZBEOOMWQBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-7-20-8-6-14(11-20)10-17-16-9-15(12(2)3)18-13(4)19-16/h5,9,12,14H,1,6-8,10-11H2,2-4H3,(H,17,18,19).
What are the key properties of 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-N-[(1-prop-2-enylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 50977340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).