3-N-pyrimidin-4-ylbutane-1,3-diamine

C8H14N4 — CID 83178912

IUPAC3-N-pyrimidin-4-ylbutane-1,3-diamine
SMILESCC(CCN)Nc1ccncn1
InChIInChI=1S/C8H14N4/c1-7(2-4-9)12-8-3-5-10-6-11-8/h3,5-7H,2,4,9H2,1H3,(H,10,11,12)
InChIKeyQDRVUDFNFCDYMD-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.63
Rot. Bonds4

About 3-N-pyrimidin-4-ylbutane-1,3-diamine

3-N-pyrimidin-4-ylbutane-1,3-diamine (PubChem CID 83178912) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 3-N-pyrimidin-4-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-pyrimidin-4-ylbutane-1,3-diamine
PubChem CID83178912
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name3-N-pyrimidin-4-ylbutane-1,3-diamine
SMILESCC(CCN)Nc1ccncn1
InChIInChI=1S/C8H14N4/c1-7(2-4-9)12-8-3-5-10-6-11-8/h3,5-7H,2,4,9H2,1H3,(H,10,11,12)
InChIKeyQDRVUDFNFCDYMD-UHFFFAOYSA-N
XLogP0.63
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorobutan-2-yl)pyrimidin-4-amine
CID 83187601
2-methyl-N-pyrimidin-4-ylbutane-1,4-diamine
CID 66107458
3-N-(5-bromo-2-pyridinyl)butane-1,3-diamine
CID 83180583
N-hexan-3-ylpyrimidin-4-amine
CID 62117651
N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyrimidin-4-amine
CID 94220826
N-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]pyrimidin-4-amine
CID 97143453
N-(2-chloropentan-3-yl)pyrimidin-4-amine
CID 131162695
3-N-(5-bromopyrimidin-4-yl)butane-1,3-diamine
CID 83180764
N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
3-N-(6-propan-2-ylpyridazin-3-yl)butane-1,3-diamine
CID 116970755
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
N-(3-methyl-2-propan-2-ylbutyl)pyrimidin-4-amine
CID 102914055

Frequently Asked Questions

What is the IUPAC name of 3-N-pyrimidin-4-ylbutane-1,3-diamine?
The IUPAC name of 3-N-pyrimidin-4-ylbutane-1,3-diamine (CID 83178912) is 3-N-pyrimidin-4-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-pyrimidin-4-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-pyrimidin-4-ylbutane-1,3-diamine is CC(CCN)Nc1ccncn1.
What is the InChIKey of 3-N-pyrimidin-4-ylbutane-1,3-diamine?
The InChIKey is QDRVUDFNFCDYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7(2-4-9)12-8-3-5-10-6-11-8/h3,5-7H,2,4,9H2,1H3,(H,10,11,12).
What are the key properties of 3-N-pyrimidin-4-ylbutane-1,3-diamine?
3-N-pyrimidin-4-ylbutane-1,3-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-pyrimidin-4-ylbutane-1,3-diamine is sourced from PubChem (CID 83178912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).