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

C12H20N4 — CID 95841176

IUPACN,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN1CC[C@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C12H20N4/c1-15(2)12-7-11(13-9-14-12)6-10-4-5-16(3)8-10/h7,9-10H,4-6,8H2,1-3H3/t10-/m1/s1
InChIKeyVBTISXPZWRQJSQ-SNVBAGLBSA-N
MW220.32 g/mol
LogP1.04
Rot. Bonds3

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

N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine (PubChem CID 95841176) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
PubChem CID95841176
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC NameN,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine
SMILESCN1CC[C@H](Cc2cc(N(C)C)ncn2)C1
InChIInChI=1S/C12H20N4/c1-15(2)12-7-11(13-9-14-12)6-10-4-5-16(3)8-10/h7,9-10H,4-6,8H2,1-3H3/t10-/m1/s1
InChIKeyVBTISXPZWRQJSQ-SNVBAGLBSA-N
XLogP1.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidin-4-amine
CID 95841173
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
CID 95815453
N,N-dimethyl-6-[(1-methylpyrrolidin-3-yl)methyl]pyridazin-3-amine
CID 73440085
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
4-N-methyl-4-N-[(1-methylpyrrolidin-3-yl)methyl]pyrimidine-4,6-diamine
CID 80829312
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylsulfonyl-1,4-diazepan-1-yl]-2-methylprop-2-en-1-one
CID 175657921
1-[(6R)-4-benzyl-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 95815330
[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone
CID 124943621
1-[4-benzyl-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 110253272
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
1-[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 110253274

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine (CID 95841176) is N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine is CN1CC[C@H](Cc2cc(N(C)C)ncn2)C1.
What is the InChIKey of N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is VBTISXPZWRQJSQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4/c1-15(2)12-7-11(13-9-14-12)6-10-4-5-16(3)8-10/h7,9-10H,4-6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine?
N,N-dimethyl-6-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.04, 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-[[(3R)-1-methylpyrrolidin-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95841176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).