N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine

C20H32N6 — CID 169229750

IUPACN,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
SMILESc1cnc(NCCCCCCCCCCCCNc2ncccn2)nc1
InChIInChI=1S/C20H32N6/c1(3-5-7-9-13-21-19-23-15-11-16-24-19)2-4-6-8-10-14-22-20-25-17-12-18-26-20/h11-12,15-18H,1-10,13-14H2,(H,21,23,24)(H,22,25,26)
InChIKeyMNTFPOBIWZMCBC-UHFFFAOYSA-N
MW356.52 g/mol
LogP4.69
Rot. Bonds15

About N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine

N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine (PubChem CID 169229750) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine.

Molecular Properties

Compound NameN,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
PubChem CID169229750
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC NameN,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
SMILESc1cnc(NCCCCCCCCCCCCNc2ncccn2)nc1
InChIInChI=1S/C20H32N6/c1(3-5-7-9-13-21-19-23-15-11-16-24-19)2-4-6-8-10-14-22-20-25-17-12-18-26-20/h11-12,15-18H,1-10,13-14H2,(H,21,23,24)(H,22,25,26)
InChIKeyMNTFPOBIWZMCBC-UHFFFAOYSA-N
XLogP4.69
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-methylsulfanylpentyl)pyrimidin-2-amine
CID 104925501
N-(14-azidotetradecyl)pyrimidin-2-amine
CID 71236675
N-(9-azidononyl)pyrimidin-2-amine
CID 71236787
N-butylpyrimidin-2-amine;molecular hydrogen
CID 142213040
N-(2-iodoethyl)pyrimidin-2-amine
CID 122607356
N-(3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 60667125
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
3-(pyrimidin-2-ylamino)propanenitrile
CID 131130388
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(3,3-difluoropropyl)pyrimidin-2-amine
CID 131114276
N-cyclopropyl-N'-pyrimidin-2-ylethane-1,2-diamine
CID 62663057
N-(pyridin-3-ylmethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63255523

Frequently Asked Questions

What is the IUPAC name of N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine?
The IUPAC name of N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine (CID 169229750) is N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine.
What is the SMILES notation for N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine?
The canonical SMILES for N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine is c1cnc(NCCCCCCCCCCCCNc2ncccn2)nc1.
What is the InChIKey of N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine?
The InChIKey is MNTFPOBIWZMCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1(3-5-7-9-13-21-19-23-15-11-16-24-19)2-4-6-8-10-14-22-20-25-17-12-18-26-20/h11-12,15-18H,1-10,13-14H2,(H,21,23,24)(H,22,25,26).
What are the key properties of N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine?
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine has a molecular weight of 356.52 g/mol, XLogP of 4.69, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine is sourced from PubChem (CID 169229750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).