N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine

C14H24N4O — CID 99576651

IUPACN,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(N(C)C)nc1)C[C@@H]1CCCCO1
InChIInChI=1S/C14H24N4O/c1-17(2)14-15-8-12(9-16-14)10-18(3)11-13-6-4-5-7-19-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyMGSCHJYBJNYDSH-ZDUSSCGKSA-N
MW264.37 g/mol
LogP1.54
Rot. Bonds5

About N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine

N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine (PubChem CID 99576651) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
PubChem CID99576651
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
SMILESCN(Cc1cnc(N(C)C)nc1)C[C@@H]1CCCCO1
InChIInChI=1S/C14H24N4O/c1-17(2)14-15-8-12(9-16-14)10-18(3)11-13-6-4-5-7-19-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m0/s1
InChIKeyMGSCHJYBJNYDSH-ZDUSSCGKSA-N
XLogP1.54
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
5-[[methyl(oxan-4-ylmethyl)amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99936239
5-[[methyl(oxolan-2-ylmethyl)amino]methyl]-N-propylpyridin-2-amine
CID 62207861
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-1-[(2S)-1,4-dioxan-2-yl]-N-methylmethanamine
CID 99928236
N-methyl-1-(oxan-2-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]methanamine
CID 86825192
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
3-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431933
2-fluoro-5-[[methyl(oxan-2-ylmethyl)amino]methyl]benzonitrile
CID 103758414
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine (CID 99576651) is N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine is CN(Cc1cnc(N(C)C)nc1)C[C@@H]1CCCCO1.
What is the InChIKey of N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine?
The InChIKey is MGSCHJYBJNYDSH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O/c1-17(2)14-15-8-12(9-16-14)10-18(3)11-13-6-4-5-7-19-13/h8-9,13H,4-7,10-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine?
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine has a molecular weight of 264.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 99576651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).