2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide

C11H17N5 — CID 107550528

IUPAC2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC2CC2)n1
InChIInChI=1S/C11H17N5/c1-2-16(7-8-3-4-8)11-14-6-5-9(15-11)10(12)13/h5-6,8H,2-4,7H2,1H3,(H3,12,13)
InChIKeyXNHFBGMFHZAGGK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.00
Rot. Bonds5

About 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide

2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide (PubChem CID 107550528) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
PubChem CID107550528
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC2CC2)n1
InChIInChI=1S/C11H17N5/c1-2-16(7-8-3-4-8)11-14-6-5-9(15-11)10(12)13/h5-6,8H,2-4,7H2,1H3,(H3,12,13)
InChIKeyXNHFBGMFHZAGGK-UHFFFAOYSA-N
XLogP1.00
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]pyrimidine-4-carboximidamide
CID 107550123
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
2-[cyclopentyl(3-methylbutyl)amino]pyrimidine-4-carboximidamide
CID 107550615
3-[cyclopropylmethyl(propyl)amino]pyridazine-4-carboximidamide
CID 80513562
2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 116796967
2-chloro-4-[cyclopropylmethyl(ethyl)amino]benzenecarboximidamide
CID 63955794
2-(oxan-4-ylmethoxy)pyrimidine-4-carboximidamide
CID 107551116
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
4-[cyclopropylmethyl(propyl)amino]benzenecarboximidamide
CID 61441154
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide (CID 107550528) is 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CC)CC2CC2)n1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide?
The InChIKey is XNHFBGMFHZAGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-2-16(7-8-3-4-8)11-14-6-5-9(15-11)10(12)13/h5-6,8H,2-4,7H2,1H3,(H3,12,13).
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide?
2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).