1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine

C11H18N4 — CID 123879082

IUPAC1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
SMILESC=C1N=C(N2CCC(N)C2)C(C)=CN1C
InChIInChI=1S/C11H18N4/c1-8-6-14(3)9(2)13-11(8)15-5-4-10(12)7-15/h6,10H,2,4-5,7,12H2,1,3H3
InChIKeyUSQXNKSJMBFFAM-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.74
Rot. Bonds

About 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine

1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine (PubChem CID 123879082) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
PubChem CID123879082
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine
SMILESC=C1N=C(N2CCC(N)C2)C(C)=CN1C
InChIInChI=1S/C11H18N4/c1-8-6-14(3)9(2)13-11(8)15-5-4-10(12)7-15/h6,10H,2,4-5,7,12H2,1,3H3
InChIKeyUSQXNKSJMBFFAM-UHFFFAOYSA-N
XLogP0.74
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-aminopyrrolidin-1-yl)-2-ethylidene-N,5-dimethylpyrimidin-1-amine
CID 123406639
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)pyrrolidin-3-amine
CID 123505707
1-(C-but-2-en-2-yl-N-methylcarbonimidoyl)-N-methylpyrrolidin-3-amine
CID 123596120
(3S)-1-[(2R)-1,2,6-trimethyl-2H-pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-amine
CID 131996318
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256056
(3R)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256060
(3R)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256089
(3S)-N-methyl-1-[1-(2-methylpropyl)-2H-pyrimidin-4-yl]pyrrolidin-3-amine
CID 141256103
ethane;(3S)-1-[(2Z)-2-ethylidene-5-methyl-1-(methylideneamino)pyrimidin-4-yl]pyrrolidin-3-amine
CID 145600906
1-(N-methyl-C-prop-1-en-2-ylcarbonimidoyl)-N-propan-2-ylpyrrolidin-3-amine
CID 170576846
(3S)-1-[1-(2,2-dimethylpropyl)-2H-pyrimidin-4-yl]-N-methylpyrrolidin-3-amine
CID 174833381
(3S)-1-[(2Z)-2-ethylidene-5-methyl-1-(methylideneamino)pyrimidin-4-yl]pyrrolidin-3-amine
CID 145600907

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine (CID 123879082) is 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine is C=C1N=C(N2CCC(N)C2)C(C)=CN1C.
What is the InChIKey of 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine?
The InChIKey is USQXNKSJMBFFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-8-6-14(3)9(2)13-11(8)15-5-4-10(12)7-15/h6,10H,2,4-5,7,12H2,1,3H3.
What are the key properties of 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine?
1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethyl-2-methylidenepyrimidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 123879082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).