N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine

C16H28N4O — CID 124972535

IUPACN'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C16H28N4O/c1-4-20(9-8-19(2)3)13-14-11-17-16(18-12-14)15-7-5-6-10-21-15/h11-12,15H,4-10,13H2,1-3H3/t15-/m1/s1
InChIKeyKDSOIRGQFAFWRC-OAHLLOKOSA-N
MW292.43 g/mol
LogP2.10
Rot. Bonds7

About N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine

N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine (PubChem CID 124972535) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
PubChem CID124972535
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine
SMILESCCN(CCN(C)C)Cc1cnc([C@H]2CCCCO2)nc1
InChIInChI=1S/C16H28N4O/c1-4-20(9-8-19(2)3)13-14-11-17-16(18-12-14)15-7-5-6-10-21-15/h11-12,15H,4-10,13H2,1-3H3/t15-/m1/s1
InChIKeyKDSOIRGQFAFWRC-OAHLLOKOSA-N
XLogP2.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine (CID 124972535) is N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine is CCN(CCN(C)C)Cc1cnc([C@H]2CCCCO2)nc1.
What is the InChIKey of N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine?
The InChIKey is KDSOIRGQFAFWRC-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20(9-8-19(2)3)13-14-11-17-16(18-12-14)15-7-5-6-10-21-15/h11-12,15H,4-10,13H2,1-3H3/t15-/m1/s1.
What are the key properties of N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine?
N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine has a molecular weight of 292.43 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N,N-dimethyl-N'-[[2-[(2R)-oxan-2-yl]pyrimidin-5-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 124972535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).