N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine

C16H28N4 — CID 103502321

IUPACN-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(C(C)C)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-17-15-10-13(4)18-16(19-15)11-20-8-6-14(7-9-20)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyLFYPSZVRTZSQAK-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.08
Rot. Bonds5

About N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine

N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine (PubChem CID 103502321) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
PubChem CID103502321
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine
SMILESCCNc1cc(C)nc(CN2CCC(C(C)C)CC2)n1
InChIInChI=1S/C16H28N4/c1-5-17-15-10-13(4)18-16(19-15)11-20-8-6-14(7-9-20)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,18,19)
InChIKeyLFYPSZVRTZSQAK-UHFFFAOYSA-N
XLogP3.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-tert-butylpiperidin-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80658081
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657151
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-3-methylpiperidin-4-ol
CID 114681757
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 103538592
1-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]pyrrolidine-3,4-diol
CID 106673886
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80657810
N-ethyl-6-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]pyrimidin-4-amine
CID 102745668
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
N-ethyl-6-methyl-2-[(2-propylpiperidin-1-yl)methyl]pyrimidin-4-amine
CID 83061990
N-ethyl-6-methyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191589
1-cyclopropyl-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]imidazol-2-one
CID 80654202
[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine (CID 103502321) is N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine is CCNc1cc(C)nc(CN2CCC(C(C)C)CC2)n1.
What is the InChIKey of N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine?
The InChIKey is LFYPSZVRTZSQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-17-15-10-13(4)18-16(19-15)11-20-8-6-14(7-9-20)12(2)3/h10,12,14H,5-9,11H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine?
N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-2-[(4-propan-2-ylpiperidin-1-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 103502321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).