N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

C16H28N4O — CID 106621007

IUPACN-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOCCN(CC1CCCN1)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-13(3)18-16(19-15)20(8-9-21-4)11-14-6-5-7-17-14/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyNKTKYWOIIYJORI-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.11
Rot. Bonds7

About N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine

N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (PubChem CID 106621007) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
PubChem CID106621007
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC NameN-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
SMILESCOCCN(CC1CCCN1)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-12(2)15-10-13(3)18-16(19-15)20(8-9-21-4)11-14-6-5-7-17-14/h10,12,14,17H,5-9,11H2,1-4H3
InChIKeyNKTKYWOIIYJORI-UHFFFAOYSA-N
XLogP2.11
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dimethyl-N-(piperidin-2-ylmethyl)-N-propylpyrimidin-2-amine
CID 106642566
N-butyl-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620371
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
6-methoxy-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyrazin-2-amine
CID 106620842
3,5-dichloro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620995
4-methyl-2-(piperidin-2-ylmethyl)-6-propan-2-ylpyrimidine
CID 116893518
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106621078
N-(cyclopropylmethyl)-4-ethoxy-6-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106620065
6-fluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106621123
2-[butyl(pyrrolidin-2-ylmethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552777
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-amine
CID 106621059
6-propan-2-yl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine
CID 106619805

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine (CID 106621007) is N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is COCCN(CC1CCCN1)c1nc(C)cc(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
The InChIKey is NKTKYWOIIYJORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)15-10-13(3)18-16(19-15)20(8-9-21-4)11-14-6-5-7-17-14/h10,12,14,17H,5-9,11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine?
N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine has a molecular weight of 292.43 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-6-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 106621007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).