N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine

C12H21N3 — CID 63891334

IUPACN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyUJKBTPFIZRBDNX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.17
Rot. Bonds4

About N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine (PubChem CID 63891334) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
PubChem CID63891334
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyUJKBTPFIZRBDNX-UHFFFAOYSA-N
XLogP2.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
2,5-Dimethylpyrimidin-4-Amine
CID 445779
4-N-(2,2-dimethylpropyl)-5-methylpyrimidine-2,4-diamine
CID 80798438
4-N-(2,2-dimethylpropyl)-4-N,5-dimethylpyrimidine-2,4-diamine
CID 80818780
5-Methylpyrimidin-4-amine
CID 21719209
Aminomethylpyrimidine
CID 6946837
N4-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 80796929
N-((4-Amino-2-methylpyrimidin-5-yl)methyl)acetamide
CID 586434
5-Methylpyrimidin-2-amine
CID 12999933
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
2,11,14-Triazabicyclo(8.3.1)tetradeca-1(14),10,12-triene-13-carbonitrile
CID 317301
2-Pyrimidinamine, N-butyl-
CID 4357527

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine (CID 63891334) is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine is CCNCc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
The InChIKey is UJKBTPFIZRBDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-13-7-10-8-14-11(15-9-10)6-12(2,3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine?
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine is sourced from PubChem (CID 63891334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).