N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

C16H20N4O — CID 97444786

IUPACN-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCN(C[C@@H]1CCCCO1)c1nccc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4O/c1-20(12-13-6-3-5-11-21-13)16-18-10-8-15(19-16)14-7-2-4-9-17-14/h2,4,7-10,13H,3,5-6,11-12H2,1H3/t13-/m0/s1
InChIKeyYBNDHVLLRDZEPC-ZDUSSCGKSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds4

About N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine

N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (PubChem CID 97444786) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
PubChem CID97444786
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
SMILESCN(C[C@@H]1CCCCO1)c1nccc(-c2ccccn2)n1
InChIInChI=1S/C16H20N4O/c1-20(12-13-6-3-5-11-21-13)16-18-10-8-15(19-16)14-7-2-4-9-17-14/h2,4,7-10,13H,3,5-6,11-12H2,1H3/t13-/m0/s1
InChIKeyYBNDHVLLRDZEPC-ZDUSSCGKSA-N
XLogP2.54
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 95551213
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
2-[methyl(oxolan-2-ylmethyl)amino]pyrimidine-4-carbothioamide
CID 107546808
5-chloro-2-N,4-N-dimethyl-2-N,4-N-bis[[(2S)-oxan-2-yl]methyl]pyrimidine-2,4-diamine
CID 96526341
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
N-methyl-N-(oxolan-2-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878729
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
3-bromo-N-methyl-N-(oxan-2-ylmethyl)pyridin-4-amine
CID 104778194
2-N,4-N,5-trimethyl-2-N,4-N-bis[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 124859594
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine (CID 97444786) is N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is CN(C[C@@H]1CCCCO1)c1nccc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
The InChIKey is YBNDHVLLRDZEPC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(12-13-6-3-5-11-21-13)16-18-10-8-15(19-16)14-7-2-4-9-17-14/h2,4,7-10,13H,3,5-6,11-12H2,1H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine?
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-oxan-2-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine is sourced from PubChem (CID 97444786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).