4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine

C11H21N5 — CID 82949631

IUPAC4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)CN(C)C
InChIInChI=1S/C11H21N5/c1-5-9-10(12)13-7-14-11(9)15-8(2)6-16(3)4/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyYFBIDLXULGDXNM-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds5

About 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine

4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine (PubChem CID 82949631) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
PubChem CID82949631
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1NC(C)CN(C)C
InChIInChI=1S/C11H21N5/c1-5-9-10(12)13-7-14-11(9)15-8(2)6-16(3)4/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyYFBIDLXULGDXNM-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine (CID 82949631) is 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1NC(C)CN(C)C.
What is the InChIKey of 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine?
The InChIKey is YFBIDLXULGDXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-9-10(12)13-7-14-11(9)15-8(2)6-16(3)4/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine?
4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine has a molecular weight of 223.32 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(dimethylamino)propan-2-yl]-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 82949631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).