N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

C10H18N4 — CID 61240160

IUPACN'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(NCCCN)ncn1
InChIInChI=1S/C10H18N4/c1-8(2)9-6-10(14-7-13-9)12-5-3-4-11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyKJYOGXFZWAYKBF-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.36
Rot. Bonds5

About N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine

N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (PubChem CID 61240160) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
PubChem CID61240160
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
SMILESCC(C)c1cc(NCCCN)ncn1
InChIInChI=1S/C10H18N4/c1-8(2)9-6-10(14-7-13-9)12-5-3-4-11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyKJYOGXFZWAYKBF-UHFFFAOYSA-N
XLogP1.36
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-propan-2-ylpyrimidin-4-yl)hexane-1,6-diamine
CID 107844656
N-pentyl-6-propan-2-ylpyrimidin-4-amine
CID 61239397
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
N-pent-4-ynyl-6-propan-2-ylpyrimidin-4-amine
CID 103704412
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 58337037
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
N'-(6-methoxypyrimidin-4-yl)propane-1,3-diamine
CID 66318519
N-[3-(4-aminocyclohexyl)oxypropyl]-6-propan-2-ylpyrimidin-4-amine
CID 63870539
N-[2-(3,5-difluorophenyl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 62614721
6-propan-2-yl-N-[3-(triazol-1-yl)propyl]pyrimidin-4-amine
CID 113412986
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidin-4-amine
CID 114759145

Frequently Asked Questions

What is the IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine (CID 61240160) is N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is CC(C)c1cc(NCCCN)ncn1.
What is the InChIKey of N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is KJYOGXFZWAYKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)9-6-10(14-7-13-9)12-5-3-4-11/h6-8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine?
N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 61240160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).