4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine

C14H24N4 — CID 114102516

IUPAC4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC1(CC)CC1
InChIInChI=1S/C14H24N4/c1-4-6-11-12(15-3)17-10-18-13(11)16-9-14(5-2)7-8-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYHUXGLVRTDVFIX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.07
Rot. Bonds7

About 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine

4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (PubChem CID 114102516) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
PubChem CID114102516
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(NC)ncnc1NCC1(CC)CC1
InChIInChI=1S/C14H24N4/c1-4-6-11-12(15-3)17-10-18-13(11)16-9-14(5-2)7-8-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18)
InChIKeyYHUXGLVRTDVFIX-UHFFFAOYSA-N
XLogP3.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
[1-[[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclopropyl]methanol
CID 115457178
[1-[[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 115366342
6-N-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)-5-propylpyrimidine-4,6-diamine
CID 102908880
6-N-methyl-4-N-(4-methylpentyl)-5-propylpyrimidine-4,6-diamine
CID 80831818
N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103736761
N-[(1-ethylcyclopropyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 113259136
6-N-methyl-5-propyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4,6-diamine
CID 80807627
4-N-(2,2-dimethylcyclopentyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850168
4-N-(2,2-dimethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80850251
4-N-(4-ethylcyclohexyl)-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80803017
[1-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968751

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine (CID 114102516) is 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is CCCc1c(NC)ncnc1NCC1(CC)CC1.
What is the InChIKey of 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
The InChIKey is YHUXGLVRTDVFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-6-11-12(15-3)17-10-18-13(11)16-9-14(5-2)7-8-14/h10H,4-9H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine?
4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-ethylcyclopropyl)methyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 114102516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).