N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine

C14H26N4 — CID 113388169

IUPACN-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
SMILESCCCCN(c1ncc(CNC)cn1)C(C)CC
InChIInChI=1S/C14H26N4/c1-5-7-8-18(12(3)6-2)14-16-10-13(9-15-4)11-17-14/h10-12,15H,5-9H2,1-4H3
InChIKeyPECBTSSILAKPFF-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.60
Rot. Bonds8

About N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine

N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine (PubChem CID 113388169) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
PubChem CID113388169
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine
SMILESCCCCN(c1ncc(CNC)cn1)C(C)CC
InChIInChI=1S/C14H26N4/c1-5-7-8-18(12(3)6-2)14-16-10-13(9-15-4)11-17-14/h10-12,15H,5-9H2,1-4H3
InChIKeyPECBTSSILAKPFF-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-butyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186165
N-butan-2-yl-N-butyl-2-fluoro-4-(methylaminomethyl)aniline
CID 55005435
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
CID 62287854
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
5-(aminomethyl)-N-butan-2-yl-N-butylpyridin-2-amine
CID 55000369
N-butan-2-yl-N-butyl-3-methyl-5-(propylaminomethyl)pyridin-2-amine
CID 80636831
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]pyridin-2-amine
CID 62289463
N-butan-2-yl-N-butyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632466
N-butan-2-yl-N-butyl-5-[(cyclopropylamino)methyl]-3-methylpyridin-2-amine
CID 80632919
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
N-butyl-3-chloro-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62285991
4-N-butan-2-yl-4-N-butylpyrimidine-4,5-diamine
CID 79915760

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine (CID 113388169) is N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine is CCCCN(c1ncc(CNC)cn1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine?
The InChIKey is PECBTSSILAKPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-7-8-18(12(3)6-2)14-16-10-13(9-15-4)11-17-14/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine?
N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine has a molecular weight of 250.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-5-(methylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 113388169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).