N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine

C10H18N4 — CID 126848576

IUPACN'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCC(C)Cc1cc(NCCN)ncn1
InChIInChI=1S/C10H18N4/c1-8(2)5-9-6-10(12-4-3-11)14-7-13-9/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyTTZGFYYBHDZJJC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.05
Rot. Bonds5

About N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine

N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine (PubChem CID 126848576) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
PubChem CID126848576
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine
SMILESCC(C)Cc1cc(NCCN)ncn1
InChIInChI=1S/C10H18N4/c1-8(2)5-9-6-10(12-4-3-11)14-7-13-9/h6-8H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyTTZGFYYBHDZJJC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine (CID 126848576) is N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine is CC(C)Cc1cc(NCCN)ncn1.
What is the InChIKey of N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
The InChIKey is TTZGFYYBHDZJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)5-9-6-10(12-4-3-11)14-7-13-9/h6-8H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine?
N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(2-methylpropyl)pyrimidin-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 126848576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).