5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine

C13H22N4O — CID 50971408

IUPAC5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(N)nc1)CC1CCOCC1
InChIInChI=1S/C13H22N4O/c1-2-17(9-11-3-5-18-6-4-11)10-12-7-15-13(14)16-8-12/h7-8,11H,2-6,9-10H2,1H3,(H2,14,15,16)
InChIKeySXUQMEYYDQLFDN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.31
Rot. Bonds5

About 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine

5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine (PubChem CID 50971408) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
PubChem CID50971408
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine
SMILESCCN(Cc1cnc(N)nc1)CC1CCOCC1
InChIInChI=1S/C13H22N4O/c1-2-17(9-11-3-5-18-6-4-11)10-12-7-15-13(14)16-8-12/h7-8,11H,2-6,9-10H2,1H3,(H2,14,15,16)
InChIKeySXUQMEYYDQLFDN-UHFFFAOYSA-N
XLogP1.31
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(oxan-4-yl)pyrimidin-2-amine
CID 63208024
5-Bromo-2-(oxan-4-yl)pyrimidine
CID 76848543
(2-(Morpholin-4-yl)pyrimidin-5-yl)methanamine
CID 42556097
5-bromo-N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrimidin-2-amine
CID 56790164
5-Ethyl-4-(9-oxa-2-azaspiro[5.5]undec-2-yl)pyrimidin-2-amine
CID 72868640
2-(5-Methylpyrimidin-2-YL)-9-oxa-2-azaspiro[5.5]undecane
CID 72899435
2-Methoxy-5-[[4-(2-methylprop-2-enyl)piperazin-1-yl]methyl]pyrimidine
CID 73945347
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 95857556
8-Methyl-4-(5-methylpyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118742778
(1-{2-[(5-Methylpyrimidin-2-yl)amino]ethyl}piperidin-4-yl)methanol
CID 72866545
5-ethyl-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 72873918
(3S)-4-[(2-methoxypyrimidin-5-yl)methyl]-3-propylmorpholine
CID 95188830

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The IUPAC name of 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine (CID 50971408) is 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine is CCN(Cc1cnc(N)nc1)CC1CCOCC1.
What is the InChIKey of 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
The InChIKey is SXUQMEYYDQLFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-17(9-11-3-5-18-6-4-11)10-12-7-15-13(14)16-8-12/h7-8,11H,2-6,9-10H2,1H3,(H2,14,15,16).
What are the key properties of 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine?
5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(oxan-4-ylmethyl)amino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 50971408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).