5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine

C14H20N4O — CID 80802948

IUPAC5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(C)Cc1ccco1
InChIInChI=1S/C14H20N4O/c1-4-12-13(15-3)16-9-17-14(12)18-10(2)8-11-6-5-7-19-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBBVPQYUXTXDZFE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.72
Rot. Bonds6

About 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80802948) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID80802948
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(C)Cc1ccco1
InChIInChI=1S/C14H20N4O/c1-4-12-13(15-3)16-9-17-14(12)18-10(2)8-11-6-5-7-19-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18)
InChIKeyBBVPQYUXTXDZFE-UHFFFAOYSA-N
XLogP2.72
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80804231
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
5-ethyl-4-N-(furan-2-ylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80780940
5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80807668
N-[1-(furan-2-yl)propan-2-yl]furo[3,2-c]pyridin-4-amine
CID 113243688
5-chloro-4-N-[1-(furan-2-yl)propan-2-yl]-2-N-methylpyrimidine-2,4-diamine
CID 80804226
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
5-ethyl-6-N-methyl-4-N-(1-morpholin-4-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80802012
6-ethoxy-N-[1-(furan-2-yl)propan-2-yl]pyridin-2-amine
CID 55212585
N-[1-(furan-2-yl)propan-2-yl]pyridin-4-amine
CID 61043048
N-[1-(furan-2-yl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385464

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine (CID 80802948) is 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC(C)Cc1ccco1.
What is the InChIKey of 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is BBVPQYUXTXDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-12-13(15-3)16-9-17-14(12)18-10(2)8-11-6-5-7-19-11/h5-7,9-10H,4,8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80802948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).