N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

C14H26N4 — CID 113388114

IUPACN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3
InChIKeyBIWPGVFLMWRXNQ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.46
Rot. Bonds7

About N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine

N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (PubChem CID 113388114) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
PubChem CID113388114
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine
SMILESCC(C)CCN(C)c1ncc(CNC(C)C)cn1
InChIInChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3
InChIKeyBIWPGVFLMWRXNQ-UHFFFAOYSA-N
XLogP2.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-2-methyl-5-pyrimidinemethanamine
CID 66762
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
Aminomethylpyrimidine
CID 6946837
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
2-(Methylamino)-5-pyrimidinecarbonitrile
CID 20510270
5-Methylpyrimidin-2-amine
CID 12999933
5-{[Ethyl(methyl)amino]methyl}-2-methyl-5,6-dihydropyrimidin-4-amine
CID 448672
4-N-butyl-5-iodopyrimidine-2,4-diamine
CID 135271026
2,4-Diamino-5-methylpyrimidine
CID 65266
US10266549, Example 168c
CID 118908038
Pyrimidin-5-ylmethanamine
CID 18953632

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine (CID 113388114) is N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is CC(C)CCN(C)c1ncc(CNC(C)C)cn1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
The InChIKey is BIWPGVFLMWRXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)6-7-18(5)14-16-9-13(10-17-14)8-15-12(3)4/h9-12,15H,6-8H2,1-5H3.
What are the key properties of N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine?
N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 113388114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).