5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine

C11H21N5 — CID 80833143

IUPAC5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCN(C)C(C)C
InChIInChI=1S/C11H21N5/c1-8(2)16(4)6-5-13-11-9(3)10(12)14-7-15-11/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyFUDPPOHKHABWIC-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.12
Rot. Bonds5

About 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine

5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine (PubChem CID 80833143) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
PubChem CID80833143
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine
SMILESCc1c(N)ncnc1NCCN(C)C(C)C
InChIInChI=1S/C11H21N5/c1-8(2)16(4)6-5-13-11-9(3)10(12)14-7-15-11/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyFUDPPOHKHABWIC-UHFFFAOYSA-N
XLogP1.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043625
5-methyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831472
5-ethyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 114139951
6-N-ethyl-5-methyl-4-N-[3-[methyl(propan-2-yl)amino]propyl]pyrimidine-4,6-diamine
CID 106042300
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylpyrimidine-4,6-diamine
CID 80983070
methyl 3-[(6-amino-5-methylpyrimidin-4-yl)amino]propanoate
CID 80796856
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
2,5-dimethyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80817023
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
1-[(6-amino-5-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 80840720
N-(6-methoxy-5-methylpyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 66327244

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine (CID 80833143) is 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine is Cc1c(N)ncnc1NCCN(C)C(C)C.
What is the InChIKey of 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine?
The InChIKey is FUDPPOHKHABWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(2)16(4)6-5-13-11-9(3)10(12)14-7-15-11/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine?
5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80833143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).