2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine

C15H29N5 — CID 152687444

IUPAC2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
SMILESCCCCC1(N(C)C2CCNCC2)N=CC=C(NC)N1
InChIInChI=1S/C15H29N5/c1-4-5-9-15(18-12-8-14(16-2)19-15)20(3)13-6-10-17-11-7-13/h8,12-13,16-17,19H,4-7,9-11H2,1-3H3
InChIKeyHTJZCOIHWDERQW-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.25
Rot. Bonds6

About 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine

2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine (PubChem CID 152687444) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine.

Molecular Properties

Compound Name2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
PubChem CID152687444
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
SMILESCCCCC1(N(C)C2CCNCC2)N=CC=C(NC)N1
InChIInChI=1S/C15H29N5/c1-4-5-9-15(18-12-8-14(16-2)19-15)20(3)13-6-10-17-11-7-13/h8,12-13,16-17,19H,4-7,9-11H2,1-3H3
InChIKeyHTJZCOIHWDERQW-UHFFFAOYSA-N
XLogP1.25
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-piperidin-4-yl-2H-pyrimidin-2-amine
CID 66896745
6-methyl-2-piperidin-1-yl-1H-pyrimidin-2-amine
CID 68004596
N-piperidin-4-yl-1,2-dihydropyrazin-5-amine
CID 89149707
2-N-butyl-6-N-[3-(dimethylamino)propyl]-1,2-dihydropyrimidine-2,6-diamine
CID 142460688
ethane;(Z)-N-[2-methylidene-4-(methylideneamino)-3-(1-methylpiperidin-4-yl)-1H-imidazol-5-yl]ethanimine
CID 143217143
1-(2H-pyrimidin-1-ylmethyl)piperidin-4-amine
CID 150810950
2-(1-methylpiperidin-2-yl)-1H-pyrimidin-2-amine
CID 151210795
6-N,2-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898680
2-butyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898681
2-methyl-2-N-piperidin-4-yl-6-N,6-N-dipropyl-1H-pyrimidine-2,6-diamine
CID 153898683
2-ethyl-6-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine
CID 153898684
2-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898686

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine?
The IUPAC name of 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine (CID 152687444) is 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine.
What is the SMILES notation for 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine?
The canonical SMILES for 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine is CCCCC1(N(C)C2CCNCC2)N=CC=C(NC)N1.
What is the InChIKey of 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine?
The InChIKey is HTJZCOIHWDERQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-4-5-9-15(18-12-8-14(16-2)19-15)20(3)13-6-10-17-11-7-13/h8,12-13,16-17,19H,4-7,9-11H2,1-3H3.
What are the key properties of 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine?
2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-N,6-N-dimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,6-diamine is sourced from PubChem (CID 152687444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).