N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine

C13H22N4 — CID 95841173

IUPACN,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN1CCC[C@@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyBGOROEKWRGCGHK-NSHDSACASA-N
MW234.35 g/mol
LogP1.43
Rot. Bonds3

About N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine

N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 95841173) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID95841173
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN1CCC[C@@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1
InChIKeyBGOROEKWRGCGHK-NSHDSACASA-N
XLogP1.43
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 95841176
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
CID 95815453
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]-2-methoxyethanone
CID 110267545
6-[[(6S)-1-(4-methoxyphenyl)sulfonyl-4-methyl-1,4-diazepan-6-yl]methyl]-N,N-dimethylpyrimidin-4-amine
CID 124809997
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 73440085
2-bromo-5-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrazine
CID 129407000
3-[(1-methylpiperidin-3-yl)methyl]pyridazine
CID 117106273
6-(3-aminopiperidin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 53185813
[3-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazol-5-yl]methanol
CID 115092826
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
6-N-[1-(cyclohexylmethyl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171998123
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine (CID 95841173) is N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine is CN1CCC[C@@H](Cc2cc(N(C)C)ncn2)C1.
What is the InChIKey of N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is BGOROEKWRGCGHK-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4/c1-16(2)13-8-12(14-10-15-13)7-11-5-4-6-17(3)9-11/h8,10-11H,4-7,9H2,1-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine?
N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 234.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).